{"title":"Strain-induced activation of chiral-phonon emission in monolayer WS2","authors":"Yiming Pan, Fabio Caruso","doi":"10.1038/s41699-024-00479-4","DOIUrl":"10.1038/s41699-024-00479-4","url":null,"abstract":"We report a theoretical investigation of the ultrafast dynamics of electrons and phonons in strained monolayer WS2 following photoexcitation. We show that strain substantially modifies the phase space for electron-phonon scattering, unlocking relaxation pathways that are unavailable in the pristine monolayer. In particular, strain triggers a transition between distinct dynamical regimes of the non-equilibrium lattice dynamics characterized by the emission of chiral phonons under high strain and linearly-polarized phonons under low strain. For valley-polarized electronic excitations, this mechanism can be exploited to selectively activate the emission of chiral phonons – phonons carrying a net angular momentum. Our simulations are based on state-of-the-art ab-initio methods and focus exclusively on realistic excitation and strain conditions that have already been achieved in recent experimental studies. Overall, strain emerges as a powerful tool for controlling chiral phonons emission and relaxation pathways in multivalley quantum materials.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-7"},"PeriodicalIF":9.1,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00479-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141545755","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Patricio Vergara, Guidobeth Sáez, Mario Castro, Sebastián Allende, Álvaro S. Núñez
{"title":"Emerging topological multiferroics from the 2D Rice-Mele model","authors":"Patricio Vergara, Guidobeth Sáez, Mario Castro, Sebastián Allende, Álvaro S. Núñez","doi":"10.1038/s41699-024-00478-5","DOIUrl":"10.1038/s41699-024-00478-5","url":null,"abstract":"We introduce a two-dimensional dimerized lattice model that reveals a remarkable feature: the emergence of a complex, non-trivial topological multiferroic phase marked by zero Berry curvature and a significant Berry connection that influences the model’s bulk topology. This model extends the one-dimensional Rice-Mele Hamiltonian model to explore polarization-dependent topological properties in a 2D Su-Schrieffer-Heeger lattice, providing a detailed framework for studying the impact of symmetry-breaking and spatially varying potentials on electronic and spin properties. The findings are particularly relevant for spintronics, offering a foundation for topologically robust and electrically controlled spin-conducting edge states, with implications for developing advanced spin-dependent transport devices.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-7"},"PeriodicalIF":9.1,"publicationDate":"2024-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00478-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141500508","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Theory of coherent phonons coupled to excitons","authors":"Enrico Perfetto, Kai Wu, Gianluca Stefanucci","doi":"10.1038/s41699-024-00474-9","DOIUrl":"10.1038/s41699-024-00474-9","url":null,"abstract":"The interaction of excitons with lattice vibrations underlies the scattering from bright to dark excitons as well as the coherent modulation of the exciton energy. Unlike the former mechanism, which involves phonons with finite momentum, the latter can be exclusively attributed to coherent phonons with zero momentum. We here lay down the microscopic theory of coherent phonons interacting with resonantly pumped bright excitons and provide the explicit expression of the corresponding coupling. The coupling notably resembles the exciton-phonon one, but with a crucial distinction: it contains the bare electron-phonon matrix elements rather than the screened ones. Our theory predicts that the exciton energy features a polaronic-like red-shift and monochromatic oscillations or beatings, depending on the number of coupled optical modes. Both the red-shift and the amplitude of the oscillations are proportional to the excitation density and to the square of the exciton-coherent-phonon coupling. We validate our analytical findings through comparisons with numerical simulations of time-resolved optical absorbance in resonantly pumped MoS2 monolayers.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-9"},"PeriodicalIF":9.1,"publicationDate":"2024-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00474-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141439755","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Seong-Yeon Lee, Soungmin Bae, Seonyeong Kim, Suyong Jung, Kenji Watanabe, Takashi Taniguchi, Hannes Raebiger, Ki-Ju Yee
{"title":"Full phonon dispersion along the stacking direction in nanoscale van der Waals materials by picosecond acoustics","authors":"Seong-Yeon Lee, Soungmin Bae, Seonyeong Kim, Suyong Jung, Kenji Watanabe, Takashi Taniguchi, Hannes Raebiger, Ki-Ju Yee","doi":"10.1038/s41699-024-00475-8","DOIUrl":"10.1038/s41699-024-00475-8","url":null,"abstract":"Phonon dispersion in crystals determines many important material properties, but its measurement usually requires large-scale facilities and is limited to bulk samples. Here, we demonstrate the measurement of full phonon dispersion along the stacking direction in nanoscale systems by using picosecond acoustics. A heterostructure sample was prepared consisting of layers of hexagonal boron nitride (hBN) sandwiching a thin layer of black phosphorus (BP), within which a strain pulse was generated by photoexcitation and observed with an optical probe in the BP layer. The strain pulse traverses to the few nanometer thick hBN layers, where it propagates to the edge and echoes back, like acoustic waves in Newton’s cradle. The echoes returning to the BP layer provide information on the frequency-dependent time-of-flight and group velocity dispersion of the sample system. The microscopic origin of the photoinduced strain pulse generation and its propagation is revealed from first principles. Phonon frequency combs observed in the Fourier transform spectrum confirm the strain wave round trips and demonstrate the feasibility of determining group velocity dispersion through photoacoustics.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-7"},"PeriodicalIF":9.7,"publicationDate":"2024-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00475-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141315524","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Purevlkham Myagmarsereejid, Selengesuren Suragtkhuu, Quang Thang Trinh, Tim Gould, Nam‐Trung Nguyen, Munkhjargal Bat-Erdene, Eric Campbell, Minh Tam Hoang, Wei-Hsun Chiu, Qin Li, Hongxia Wang, Yu Lin Zhong, Munkhbayar Batmunkh
{"title":"Large-area phosphorene for stable carbon-based perovskite solar cells","authors":"Purevlkham Myagmarsereejid, Selengesuren Suragtkhuu, Quang Thang Trinh, Tim Gould, Nam‐Trung Nguyen, Munkhjargal Bat-Erdene, Eric Campbell, Minh Tam Hoang, Wei-Hsun Chiu, Qin Li, Hongxia Wang, Yu Lin Zhong, Munkhbayar Batmunkh","doi":"10.1038/s41699-024-00476-7","DOIUrl":"10.1038/s41699-024-00476-7","url":null,"abstract":"Carbon-based perovskite solar cells (c-PSCs) have attracted increasing attention due to their numerous advantages including ease of fabrication, the potential of assembling flexible devices, low manufacturing costs as well as large-scale production. However, c-PSCs suffer from the limited hole extraction and high charge carrier recombination due to the inadequate interface contact between the carbon electrode and perovskite film. Herein, we report the fabrication of planar c-PSCs with high efficiency and excellent stability by employing electrochemically produced large-area phosphorene flakes as a hole-transporting layer (HTL). Large-area phosphorene shows well-aligned band energy levels with the perovskite, and thus led to the efficient hole extraction and the reduced hysteresis behaviour. Consequently, while exhibiting excellent stability under various harsh testing conditions, the devices with phosphorene HTL delivered a power conversion efficiency of over 15% with an open-circuit voltage of 1.082 V, which is the highest reported value for c-PSCs without traditional hole transporting materials to date.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-11"},"PeriodicalIF":9.7,"publicationDate":"2024-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00476-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141298879","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Tailored plasmon polariton landscape in graphene/boron nitride patterned heterostructures","authors":"Neven Golenić, Stefano de Gironcoli, Vito Despoja","doi":"10.1038/s41699-024-00469-6","DOIUrl":"10.1038/s41699-024-00469-6","url":null,"abstract":"Surface plasmon polaritons (SPPs), which are electromagnetic modes representing collective oscillations of charge density coupled with photons, have been extensively studied in graphene. This has provided a solid foundation for understanding SPPs in 2D materials. However, the emergence of wafer-transfer techniques has led to the creation of various quasi-2D van der Waals heterostructures, highlighting certain gaps in our understanding of their optical properties in relation to SPPs. To address this, we analyzed electromagnetic modes in graphene/hexagonal-boron-nitride/graphene heterostructures on a dielectric Al2O3 substrate using the full ab initio RPA optical conductivity tensor. Our theoretical model was validated through comparison with recent experiments measuring evanescent in-phase Dirac and out-of-phase acoustic SPP branches. Furthermore, we investigate how the number of plasmon branches and their dispersion are sensitive to variables such as layer count and charge doping. Notably, we demonstrate that patterning of the topmost graphene into nanoribbons provides efficient Umklapp scattering of the bottommost Dirac plasmon polariton (DP) into the radiative region, resulting in the conversion of the DP into a robust infrared-active plasmon. Additionally, we show that the optical activity of the DP and its hybridization with inherent plasmon resonances in graphene nanoribbons are highly sensitive to the doping of both the topmost and bottommost graphene layers. By elucidating these optical characteristics, we aspire to catalyze further advancements and create new opportunities for innovative applications in photonics and optoelectronic integration.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-13"},"PeriodicalIF":9.7,"publicationDate":"2024-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00469-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141096493","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Myeongjin Jang, Minseol Kim, Sol Lee, Minseok Kwon, Hani Kang, Kihyun Lee, Jinsub Park, Anh Tuan Hoang, Jong-Hyun Ahn, Yangjin Lee, Kwanpyo Kim
{"title":"Controlled epitaxy and patterned growth of one-dimensional crystals via surface treatment of two-dimensional templates","authors":"Myeongjin Jang, Minseol Kim, Sol Lee, Minseok Kwon, Hani Kang, Kihyun Lee, Jinsub Park, Anh Tuan Hoang, Jong-Hyun Ahn, Yangjin Lee, Kwanpyo Kim","doi":"10.1038/s41699-024-00473-w","DOIUrl":"10.1038/s41699-024-00473-w","url":null,"abstract":"Mixed-dimensional van der Waals (vdW) heterostructures offer promising platforms for exploring interesting phenomena and functionalities. To exploit their full potential, precise epitaxial processes and well-defined heterointerfaces between different components are essential. Here, we control the growth of one-dimensional (1D) vdW microwires on hexagonal crystals via plasma treatment of the growth templates. AgCN serves as a model 1D system for examining the dependence of the nucleation and growth parameters on the surface treatment conditions and substrate types. The oxygen-plasma-treated transition metal dichalcogenides form step edges mediated by formation of surface metal oxides, leading to robust AgCN epitaxy with an enhanced nucleation density and low horizontal growth rates. Monte Carlo simulations reproduce the experimentally observed growth behaviors and unveil the crucial growth parameters, such as surface diffusivity. The plasma treatment results in distinct effects on graphite and hexagonal boron nitride templates, which undergo plasma-induced amorphization and deactivation of the AgCN vdW epitaxy. We achieve the selective growth of AgCN microwires on graphite using the deactivated vdW epitaxy. This study offers significant insights into the impact of surface treatment on 1D vdW epitaxy, opening avenues for controlled fabrication of mixed-dimensional vdW heterostructures.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-9"},"PeriodicalIF":9.7,"publicationDate":"2024-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00473-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140949331","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Daniel S. Schneider, Leonardo Lucchesi, Eros Reato, Zhenyu Wang, Agata Piacentini, Jens Bolten, Damiano Marian, Enrique G. Marin, Aleksandra Radenovic, Zhenxing Wang, Gianluca Fiori, Andras Kis, Giuseppe Iannaccone, Daniel Neumaier, Max C. Lemme
{"title":"CVD graphene contacts for lateral heterostructure MoS2 field effect transistors","authors":"Daniel S. Schneider, Leonardo Lucchesi, Eros Reato, Zhenyu Wang, Agata Piacentini, Jens Bolten, Damiano Marian, Enrique G. Marin, Aleksandra Radenovic, Zhenxing Wang, Gianluca Fiori, Andras Kis, Giuseppe Iannaccone, Daniel Neumaier, Max C. Lemme","doi":"10.1038/s41699-024-00471-y","DOIUrl":"10.1038/s41699-024-00471-y","url":null,"abstract":"Intensive research has been carried out on two-dimensional materials, in particular molybdenum disulfide, towards high-performance field effect transistors for integrated circuits1. Fabricating transistors with ohmic contacts is a challenging task due to the formation of a high Schottky barrier that severely limits the performance of the transistors for real-world applications. Graphene-based heterostructures can be used in addition to, or as a substitute for unsuitable metals. In this paper, we present lateral heterostructure transistors made of scalable chemical vapor-deposited molybdenum disulfide and chemical vapor-deposited graphene achieving a low contact resistances of about 9 kΩ·µm and high on/off current ratios of 108. Furthermore, we also present a theoretical model calibrated on our experiments showing further potential for scaling transistors and contact areas into the few nanometers range and the possibility of a substantial performance enhancement by means of layer optimizations that would make transistors promising for use in future logic integrated circuits.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-6"},"PeriodicalIF":9.7,"publicationDate":"2024-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00471-y.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140907154","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Dmitry A. Mylnikov, Mikhail A. Kashchenko, Kirill N. Kapralov, Davit A. Ghazaryan, Evgenii E. Vdovin, Sergey V. Morozov, Kostya S. Novoselov, Denis A. Bandurin, Alexander I. Chernov, Dmitry A. Svintsov
{"title":"Infrared photodetection in graphene-based heterostructures: bolometric and thermoelectric effects at the tunneling barrier","authors":"Dmitry A. Mylnikov, Mikhail A. Kashchenko, Kirill N. Kapralov, Davit A. Ghazaryan, Evgenii E. Vdovin, Sergey V. Morozov, Kostya S. Novoselov, Denis A. Bandurin, Alexander I. Chernov, Dmitry A. Svintsov","doi":"10.1038/s41699-024-00470-z","DOIUrl":"10.1038/s41699-024-00470-z","url":null,"abstract":"Graphene/hBN/graphene tunnel devices offer promise as sensitive mid-infrared photodetectors but the microscopic origin underlying the photoresponse in them remains elusive. In this work, we investigated the photocurrent generation in graphene/hBN/graphene tunnel structures with localized defect states under mid-IR illumination. We demonstrate that the photocurrent in these devices is proportional to the second derivative of the tunnel current with respect to the bias voltage, peaking during tunneling through the hBN impurity level. We revealed that the origin of the photocurrent generation lies in the change of the tunneling probability upon radiation-induced electron heating in graphene layers, in agreement with the theoretical model that we developed. Finally, we show that at a finite bias voltage, the photocurrent is proportional to either of the graphene layers heating under the illumination, while at zero bias, it is proportional to the heating difference. Thus, the photocurrent in such devices can be used for accurate measurements of the electronic temperature, providing a convenient alternative to Johnson noise thermometry.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-8"},"PeriodicalIF":9.7,"publicationDate":"2024-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00470-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140881240","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Prosun Santra, Sadegh Ghaderzadeh, Mahdi Ghorbani-Asl, Hannu-Pekka Komsa, Elena Besley, Arkady V. Krasheninnikov
{"title":"Strain-modulated defect engineering of two-dimensional materials","authors":"Prosun Santra, Sadegh Ghaderzadeh, Mahdi Ghorbani-Asl, Hannu-Pekka Komsa, Elena Besley, Arkady V. Krasheninnikov","doi":"10.1038/s41699-024-00472-x","DOIUrl":"10.1038/s41699-024-00472-x","url":null,"abstract":"Strain- and defect-engineering are two powerful approaches to tailor the opto-electronic properties of two-dimensional (2D) materials, but the relationship between applied mechanical strain and behavior of defects in these systems remains elusive. Using first-principles calculations, we study the response to external strain of h-BN, graphene, MoSe2, and phosphorene, four archetypal 2D materials, which contain substitutional impurities. We find that the formation energy of the defect structures can either increase or decrease with bi-axial strain, tensile or compressive, depending on the atomic radius of the impurity atom, which can be larger or smaller than that of the host atom. Analysis of the strain maps indicates that this behavior is associated with the compressive or tensile local strains produced by the impurities that interfere with the external strain. We further show that the change in the defect formation energy is related to the change in elastic moduli of the 2D materials upon introduction of impurity, which can correspondingly increase or decrease. The discovered trends are consistent across all studied 2D materials and are likely to be general. Our findings open up opportunities for combined strain- and defect-engineering to tailor the opto-electronic properties of 2D materials, and specifically, the location and properties of single-photon emitters.","PeriodicalId":19227,"journal":{"name":"npj 2D Materials and Applications","volume":" ","pages":"1-9"},"PeriodicalIF":9.7,"publicationDate":"2024-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.nature.com/articles/s41699-024-00472-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140844997","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}